3,3-dimethyl-2-methylidenepentanamide

C8H15NO — CID 22440126

IUPAC3,3-dimethyl-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(C)(C)CC
InChIInChI=1S/C8H15NO/c1-5-8(3,4)6(2)7(9)10/h2,5H2,1,3-4H3,(H2,9,10)
InChIKeyGMGWROSUNPEYLI-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds3

About 3,3-dimethyl-2-methylidenepentanamide

3,3-dimethyl-2-methylidenepentanamide (PubChem CID 22440126) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidenepentanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidenepentanamide
PubChem CID22440126
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,3-dimethyl-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(C)(C)CC
InChIInChI=1S/C8H15NO/c1-5-8(3,4)6(2)7(9)10/h2,5H2,1,3-4H3,(H2,9,10)
InChIKeyGMGWROSUNPEYLI-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidenepentanamide?
The IUPAC name of 3,3-dimethyl-2-methylidenepentanamide (CID 22440126) is 3,3-dimethyl-2-methylidenepentanamide.
What is the SMILES notation for 3,3-dimethyl-2-methylidenepentanamide?
The canonical SMILES for 3,3-dimethyl-2-methylidenepentanamide is C=C(C(N)=O)C(C)(C)CC.
What is the InChIKey of 3,3-dimethyl-2-methylidenepentanamide?
The InChIKey is GMGWROSUNPEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(3,4)6(2)7(9)10/h2,5H2,1,3-4H3,(H2,9,10).
What are the key properties of 3,3-dimethyl-2-methylidenepentanamide?
3,3-dimethyl-2-methylidenepentanamide has a molecular weight of 141.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidenepentanamide is sourced from PubChem (CID 22440126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).